Re: [AMBER] autoimage doesn't work

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 9 Jul 2014 13:09:18 -0600

Hi,

What version of cpptraj are you using. Also, please post the complete
output from cpptraj. Do any messages/warnings/errors occur when cpptraj
attempts to process the autoimage command? You should see something like:

  [autoimage firstatom]
    AUTOIMAGE: To box center based on first atom position, anchor is first
molecule.

PARM [rna_15a.prmtop]: Setting up 0 actions.
> ----- [rna_15a_4. <http://rna_15a_4.nc/>*mdcrd*] (1-250, 1) -----
> 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.
>

This indicates that the autoimage command was not properly processed. This
combined with the way your output looks makes me think you are not using
cpptraj from AmberTools 14. Please update to AmberTools 14 and try your
script again.

-Dan


>
> Read 250 frames and processed 250 frames.
>
> ACTION OUTPUT:
>
> DATASETS:
> There are no data sets set up for analysis.
>
> It will generate an mdcrd file rna_15a_image.mdcrd. But it takes no action
> to reimage the positions.
>
> Could anyone tells what the problem is and what's the right way to do it?
>
> Thank you very much!
> --
> Li Xiao
> University of California, Irvine
> Email: xiaoli19871216.gmail.com
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Wed Jul 09 2014 - 12:30:03 PDT
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